| CAS Number | 942060-50-6 |
| Catalog Number | AG01BA6K |
| Chemical Name | (2-methyl-2H-1,2,3-triazol-4-yl)methanol |
| IUPAC Name | (2-methyltriazol-4-yl)methanol |
| InChI | InChI=1S/C4H7N3O/c1-7-5-2-4(3-8)6-7/h2,8H,3H2,1H3 |
| InChI Key | RTCYUGLJCAPLPD-UHFFFAOYSA-N |
| MDL Number | MFCD28246716 |
| Molecular Formula | C4H7N3O |
| Molecular Weight | 113.1179 |
| SMILES | CN1N=CC(=N1)CO |
| Synonyms | (2-methyl-2H-1,2,3-triazol-4-yl)methanol,
942060-50-6,
SCHEMBL4221111,
AKOS033751172,
ZINC166371483,
AS-44037,
Z2044949232,
|
| Complexity | 77.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 113.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 113.12g/mol |
| Monoisotopic Mass | 113.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number